SCHEMBL17824294

SCHEMBL17824294

COCCNC(=O)Cn1ccnc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GRIN2B Q13224 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25215406 0.79 CYP3A4 (0.48) CYP3A4CYP2D6OPRK1KDM4E
SCHEMBL17824312 0.77 RAB9A (0.64) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL25423141 0.77 PPID (0.49) CYP3A4CYP2D6OPRK1CYP1A2CYP2C9
SCHEMBL11946680 0.72 CYP3A4 (0.65) CYP3A4CYP2D6OPRK1NPC1KDM4E
SCHEMBL19714240 0.72 RAB9A (0.59) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL17824305 0.72 RAB9A (0.54) KDM4EHTTMAPTRAB9ATSHR
SCHEMBL19714188 0.71 RAB9A (0.61) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL19714421 0.70 DRD2 (0.63) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL12500219 0.69 KDM4E (0.71) CYP1A2CYP2C9CYP2C19NPC1KDM4E
SCHEMBL17824271 0.69 RAB9A (0.53) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 — — EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — WO disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 CYP3A4 4779/4885CYP2D6 4681/4885OPRK1 3104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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